NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.8810 8.1700 119.7115 53.2150 41.0728 175.6513 2 H 3.8349 8.7385 117.4272 58.6222 29.6334 174.9970 3 Y 3.8678 8.8594 122.1258 61.0065 38.9906 177.3976 4 N 4.4478 9.1440 117.6962 56.2443 38.4815 176.6557 5 C 4.1589 8.1478 120.1672 59.7522 45.0225 175.8680 6 V 3.5789 8.1838 121.7009 65.1982 30.8738 178.2297 7 S 3.8528 7.5699 112.4757 60.6774 62.9058 174.8224 8 A 4.1187 7.3514 121.4876 52.1149 18.5199 177.9144 9 G 3.8201 8.1936 104.3568 45.4105 0.0000 174.2319 10 G 3.9115 8.0541 107.5094 45.8286 0.0000 172.9978 11 Q 4.9135 8.8905 119.0838 54.0769 32.0114 174.6859 12 C 4.9473 8.6157 120.1655 55.9060 39.3203 173.0089 13 L 4.9974 8.7372 124.5146 53.1506 44.4923 177.6299 14 Y 4.0498 9.0075 119.5652 59.2659 38.4529 175.9238 15 S 4.5431 7.8366 114.1670 56.4546 64.6919 173.4436 16 A 4.1466 8.2486 123.0824 52.1901 18.5533 178.1464 17 C 4.4099 8.4815 118.1804 56.2236 35.1466 172.5235 18 P 4.5208 0.0000 0.0000 61.4058 32.1996 175.1320 19 I 3.4739 7.8138 118.1653 62.8570 37.8300 175.7507 20 F 4.3130 8.7272 123.8547 57.6064 36.5128 174.3085 21 T 5.0754 7.5662 109.3390 59.9226 72.0989 172.9773 22 K 4.6945 8.1116 119.9466 55.1620 36.5664 174.8646 23 I 4.2883 8.2813 121.2976 61.3527 38.4308 175.2872 24 Q 4.4745 10.0914 125.7567 54.6246 31.2610 176.3996 25 G 3.7648 6.9385 107.1623 44.9927 0.0000 171.6797 26 T 4.9466 7.7812 109.1048 60.0321 72.0988 172.8108 27 C 4.8100 8.0741 117.8728 56.3004 46.0766 173.0500 28 Y 3.6405 8.7140 114.7836 59.9767 33.8127 170.2335 29 R 3.9773 8.8498 110.2380 57.4776 28.1793 178.3613 30 G 3.9697 8.4335 103.6203 45.7954 0.0000 175.2583 31 K 4.1526 8.0978 118.6901 57.7007 32.6681 176.5179 32 A 4.6458 7.9577 120.0837 49.7649 22.5172 175.3644 33 K 4.5459 9.0301 118.7900 55.2114 34.8250 175.2566 34 C 5.0081 8.8568 124.2246 55.6382 44.3675 171.5483 35 C 5.5105 9.2851 124.6272 54.9906 42.7536 174.2223 36 K 4.1938 8.7389 124.3226 56.6964 31.8004 175.6366 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 D 8.17 4.88 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 H 8.74 3.83 0.00 3.34 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.86 3.87 0.00 3.19 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 9.14 4.45 0.00 2.85 2.89 0.00 0.00 6.77 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.15 4.16 0.00 3.01 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.18 3.58 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.74 0.00 0.00 7 S 7.57 3.85 0.00 3.77 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.35 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.19 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.05 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.89 4.91 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 12 C 8.62 4.95 0.00 2.54 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.74 5.00 0.00 1.48 1.53 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.01 4.05 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.84 4.54 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.25 4.15 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.48 4.41 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.52 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 19 I 7.81 3.47 1.56 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.67 0.00 0.00 20 F 8.73 4.31 0.00 3.28 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.57 5.08 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 22 K 8.11 4.69 0.00 1.79 1.89 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 23 I 8.28 4.29 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.90 0.00 0.00 24 Q 10.09 4.47 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 25 G 6.94 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.78 4.95 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 27 C 8.07 4.81 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.71 3.64 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.85 3.98 0.00 2.01 2.05 0.00 3.48 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 30 G 8.43 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.10 4.15 0.00 2.04 2.16 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.68 7.81 32 A 7.96 4.65 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.03 4.55 0.00 1.71 1.66 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.32 7.81 34 C 8.86 5.01 0.00 2.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 9.29 5.51 0.00 2.81 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.74 4.19 0.00 1.68 1.72 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.37 7.81